1-(9H-fluoren-9-yl)-N-propylbutan-1-amine

C20H25N — CID 83052233

IUPAC1-(9H-fluoren-9-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H25N/c1-3-9-19(21-14-4-2)20-17-12-7-5-10-15(17)16-11-6-8-13-18(16)20/h5-8,10-13,19-21H,3-4,9,14H2,1-2H3
InChIKeyGXHXFNOYAJREAB-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.97
Rot. Bonds6

About 1-(9H-fluoren-9-yl)-N-propylbutan-1-amine

1-(9H-fluoren-9-yl)-N-propylbutan-1-amine (PubChem CID 83052233) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(9H-fluoren-9-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(9H-fluoren-9-yl)-N-propylbutan-1-amine
PubChem CID83052233
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1-(9H-fluoren-9-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H25N/c1-3-9-19(21-14-4-2)20-17-12-7-5-10-15(17)16-11-6-8-13-18(16)20/h5-8,10-13,19-21H,3-4,9,14H2,1-2H3
InChIKeyGXHXFNOYAJREAB-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(9H-fluoren-9-yl)-N-propylbutan-1-amine (CID 83052233) is 1-(9H-fluoren-9-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(9H-fluoren-9-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(9H-fluoren-9-yl)-N-propylbutan-1-amine is CCCNC(CCC)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(9H-fluoren-9-yl)-N-propylbutan-1-amine?
The InChIKey is GXHXFNOYAJREAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-3-9-19(21-14-4-2)20-17-12-7-5-10-15(17)16-11-6-8-13-18(16)20/h5-8,10-13,19-21H,3-4,9,14H2,1-2H3.
What are the key properties of 1-(9H-fluoren-9-yl)-N-propylbutan-1-amine?
1-(9H-fluoren-9-yl)-N-propylbutan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 83052233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).